2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide

C9H17N3O4S — CID 43636823

IUPAC2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C9H17N3O4S/c1-6(2)12-8(13)5-7(9(12)14)11-3-4-17(10,15)16/h6-7,11H,3-5H2,1-2H3,(H2,10,15,16)
InChIKeyNHKROXRHBDZEAA-UHFFFAOYSA-N
MW263.32 g/mol
LogP-1.60
Rot. Bonds5

About 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide

2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43636823) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43636823
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide
SMILESCC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O
InChIInChI=1S/C9H17N3O4S/c1-6(2)12-8(13)5-7(9(12)14)11-3-4-17(10,15)16/h6-7,11H,3-5H2,1-2H3,(H2,10,15,16)
InChIKeyNHKROXRHBDZEAA-UHFFFAOYSA-N
XLogP-1.60
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide (CID 43636823) is 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide is CC(C)N1C(=O)CC(NCCS(N)(=O)=O)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is NHKROXRHBDZEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-6(2)12-8(13)5-7(9(12)14)11-3-4-17(10,15)16/h6-7,11H,3-5H2,1-2H3,(H2,10,15,16).
What are the key properties of 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 263.32 g/mol, XLogP of -1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43636823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).